SCHEMBL4279986

SCHEMBL4279986

CC(C)OCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PAX8 Q06710 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NAMPT P43490 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4279917 0.88 GSK3B (0.51) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL4284557 0.86 KDM4E (0.39) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL4289272 0.84 CD274 (0.41) MAPTALDH1A1POLBATMHPGD
SCHEMBL4284524 0.83 ALDH1A1 (0.43) KMT2AMEN1PAX8MAPTALDH1A1
SCHEMBL4287690 0.82 HTT (0.46) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4281132 0.82 HTT (0.42) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4290584 0.82 CD274 (0.39) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4284348 0.78 SMN1; SMN2 (0.44) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4288766 0.78 CD274 (0.42) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4288476 0.77 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP KMT2A 871/4885MEN1 1910/4885PAX8 3189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.